2-(Chloromethyl)-5-(4-methylphenyl)-1,3,4-oxadiazole

HCID 736973

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Basic information

CAS: 287197-95-9
Standard SMILES: Cc1ccc(-c2nnc(CCl)o2)cc1
InChIKey: JDAULQMOFMANSL-UHFFFAOYSA-N
Molecular formula: C10H9ClN2O
Average molar mass: 208.64 g/mol
Monoisotopic mass: 208.04034059

Names & identifiers

Preferred name: 2-(Chloromethyl)-5-(4-methylphenyl)-1,3,4-oxadiazole
IUPAC: 2-(chloromethyl)-5-(4-methylphenyl)-1,3,4-oxadiazole
English name: 2-Chloromethyl-5-(4-methylphenyl)-1,3,4-oxadiazole
Molecular formula: C10H9ClN2O
Molecular weight: 208.64

Names & synonyms

287197-95-92-(chloromethyl)-5-(4-methylphenyl)-1,3,4-oxadiazoleDTXSID30353152RefChem:253533DTXCID803042152-Chloromethyl-5-(4-methylphenyl)-1,3,4-oxadiazole2-(chloromethyl)-5-(p-tolyl)-1,3,4-oxadiazoleMFCD006623181,3,4-oxadiazole, 2-(chloromethyl)-5-(4-methylphenyl)-5-(chloromethyl)-2-(4-methylphenyl)-1,3,4-oxadiazole1,3,4-Oxadiazole,2-(chloromethyl)-5-(4-methylphenyl)-SCHEMBL2640701

Show more names

ASISCHEM D38784BUTTPARK 43\57-30TIMTEC-BB SBB005589

ALBB-024101SBB005589STK727256AKOS000123847AB06647CS-10451ST058828DB-047443

Database identifiers

CAS: 287197-95-9
PubChem CID: 736973
DTXSID: DTXSID30353152
EC Number: 672-843-8

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 183

Physicochemical properties

Melting point: 117 · 117-119°C
CAS DataBase Reference: 287197 · 287197-95-9(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H332-H335-H319-H312
Precautionary statements: 280 · P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Hazard Codes: Xi
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39
RIDADR: 3261 · 3261
Hazard Note: Irritant
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

ridadr: 3261
hs_code: 2934999090
risk_code: 34
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39
Hazard statements: H302-H315-H332-H335-H319-H312
Precautionary statements: P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312